Try beta.chemspider
Spiro[indene-1,4'-piperidine]
C1CNCCC12C=CC3=CC=CC=C23
InChI=1S/C13H15N/c1-2-4-12-11(3-1)5-6-13(12)7-9-14-10-8-13/h1-6,14H,7-10H2
QXNXVWNYCKUANQ-UHFFFAOYSA-N
CSID:8505513, http://www.chemspider.com/Chemical-Structure.8505513.html (accessed 21:38, Jun 15, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 3.50 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 296.89 (Adapted Stein & Brown method) Melting Pt (deg C): 85.97 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000599 (Modified Grain method) Subcooled liquid VP: 0.0023 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 546.3 log Kow used: 3.50 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 397.62 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.70E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.673E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.50 (KowWin est) Log Kaw used: -4.820 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.320 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6292 Biowin2 (Non-Linear Model) : 0.4414 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6021 (weeks-months) Biowin4 (Primary Survey Model) : 3.4703 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3860 Biowin6 (MITI Non-Linear Model): 0.2271 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3297 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.307 Pa (0.0023 mm Hg) Log Koa (Koawin est ): 8.320 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.78E-006 Octanol/air (Koa) model: 5.13E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000353 Mackay model : 0.000782 Octanol/air (Koa) model: 0.00409 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 147.6328 E-12 cm3/molecule-sec Half-Life = 0.072 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.869 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec Half-Life = 0.546 Days (at 7E11 mol/cm3) Half-Life = 13.097 Hrs Fraction sorbed to airborne particulates (phi): 0.000568 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.117E+004 Log Koc: 4.048 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.992 (BCF = 98.16) log Kow used: 3.50 (estimated) Volatilization from Water: Henry LC: 3.7E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2155 hours (89.8 days) Half-Life from Model Lake : 2.363E+004 hours (984.4 days) Removal In Wastewater Treatment: Total removal: 13.05 percent Total biodegradation: 0.18 percent Total sludge adsorption: 12.85 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0673 1.54 1000 Water 18 900 1000 Soil 80.6 1.8e+003 1000 Sediment 1.31 8.1e+003 0 Persistence Time: 1.06e+003 hr
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